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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-115594
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Ba', 'O']
  • Chemical System: Ba-O
  • Density: 3.8843985445907148
  • Atomic Density: 0.024144628769057926
  • Unit Cell Volume: 124.25123735365072
  • Molar Volume: 24.941948031595153
  • Full Formula: Ba2 O1
  • Reduced Formula: Ba2O
  • Formula Anonymous: AB2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2